Glycerides, C8-10 mono-and di-
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CAS Number 91079-40-2
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Catalog Number io-406895
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Molecular Weight 5001.0000
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SMILES
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No description available for this item
| 1 | Peptone |
| 2 | CID 162204134 |
| 3 | Casein Tryptone |
| 4 | Pancreatic digest of casein |
| 5 | Glycerides, C8-10 mono- and di- |
| Molecular Formula | C290H252N8O72 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 5001.0000 |
| InChIKey | DENDBKLJAQIVGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H48O16.C40H40O16.C36H36O16.4C34H24N2O2.C34H32O16/c1-25-15-17-27(3)43(23-25)57-37(49)31(38(50)58-43)13-9-5-7-11-29-33(45)53-41(54-34(29)46)19-21-42(22-20-41)55-35(47)30(36(48)56-42)12-8-6-10-14-32-39(51)59-44(60-40(32)52)24-26(2)16-18-28(44)4;41-29-25(30(42)50-37(49-29)17-9-3-10-18-37)13-5-1-7-15-27-33(45)53-39(54-34(27)46)21-23-40(24-22-39)55-35(47)28(36(48)56-40)16-8-2-6-14-26-31(43)51-38(52-32(26)44)19-11-4-12-20-38;1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;4*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28;1-31(2)43-23(35)19(24(36)44-31)11-7-5-9-13-21-27(39)47-33(48-28(21)40)15-17-34(18-16-33)49-29(41)22(30(42)50-34)14-10-6-8-12-20-25(37)45-32(3,4)46-26(20)38/h5-14,25-28,49,51H,15-24H2,1-4H3;1-2,5-8,13-16,45,47H,3-4,9-12,17-24H2;7-16,37,39H,5-6,17-20H2,1-4H3;4*1-24H;5-14,39,41H,15-18H2,1-4H3 |
| XLogP | 0.0000 |
| ExactMass | 5000.6404 |
| MonoisotopicMass | 4997.6304 |
| TPSA | 1080.0000 |
| Complexity | 7410.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 8 |
| HBondAcceptorCount | 72 |
| RotatableBondCount | 46 |
| HeavyAtomCount | 370 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 8 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 8 |
| BondStereoCount | 16 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 16 |
| CovalentUnitCount | 8 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
